Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | FAAH | O00519 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | PHGDH | O43175 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | ALPL | P05186 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.33 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.32 |
| ▸ | JMJD6 | Q6NYC1 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL10492044 | 0.86 | FAAH (0.43) | CA12CA1CA2CA9MAPT | |
| SCHEMBL975064 | 0.72 | SMN1; SMN2 (0.47) | CA12CA1CA2CA9MAPT | |
| SCHEMBL10492004 | 0.71 | — | — | |
| SCHEMBL10492041 | 0.71 | — | — | |
| SCHEMBL24950110 | 0.71 | CA12 (0.50) | CA12CA1CA2CA9MAPT | |
| SCHEMBL30968164 | 0.71 | CA12 (0.50) | CA12CA1CA2CA9MAPT | |
| SCHEMBL26659381 | 0.71 | CA12 (0.49) | CA12CA1CA2CA9MAPT | |
| SCHEMBL4298598 | 0.71 | PHGDH (0.59) | CA12CA1CA2CA9PHGDH | |
| SCHEMBL22290279 | 0.71 | CA12 (0.45) | CA12CA1CA2CA9MAPT | |
| SCHEMBL30722873 | 0.70 | CA12 (0.48) | CA12CA1CA2CA9FAAH |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4795817-A | FUNGICIDES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1989-01-03 | — | — | US | disclosed |
| WO-1985001732-A1 | 8-SUBSTITUTED PYRAZOLOPENTATHIEPINS AND RELATED COMPOUNDS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1985-04-25 | — | — | WO | disclosed |
| EP-0138622-A2 | 8-substituted pyrazolopentathiepins and related compounds | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1985-04-24 | — | — | EP | disclosed |